期刊論文
| 學年 | 114 |
|---|---|
| 學期 | 1 |
| 出版（發表）日期 | 2025-10-15 |
| 作品名稱 | Orbital occupancy modulation to optimize the electroactivity towards bidirectional sulfur conversion in lithium-sulfur batteries |
| 作品名稱（其他語言） | |
| 著者 | Wei Zhou; Zilong Li; Shunlian Ning; Jinchang Xu; Ming-Hsien Lee; Dengke Zhao; Jian Qing; Nan Wang; Hui Meng |
| 單位 | |
| 出版者 | |
| 著錄名稱、卷期、頁數 | Chemical Engineering Journal 522, 167290 |
| 摘要 | Exploring a simple way to simultaneously modulate the electronic structure and physical architecture of metal sulfides can contribute to improve their electroactivity for bidirectional sulfur conversion in lithium‑sulfur batteries (LSBs). Herein, a novel Fe cluster modified Co9S8 supported on hollow carbon nanotube (Fe-Co9S8@CNT) is prepared for LSBs by one-step self-vulcanizing/doping. The X-ray absorption spectroscopy and in-situ Raman spectra reveal the formation of Fesingle bondCo bonds leads to Co9S8 with abundant S vacancy, thereby effectually regulating the electronic structure of Co sites to enhance the adsorption and conversion polysulfides. Moreover, the well-developed porous and hollow structure facilitate the storage of active S and the mass transfer. Therefore, the S/Fe-Co9S8@CNT cathode indicates a favorable rate capability (775.7 mAh g−1 at 5.0C) and cycling stability (capacity attenuation of 0.022 % each cycle at 3.0C over 1000 cycles). Density functional theory further elucidates the underlying cause of the excellent electroactivity, confirming Fe doping reduces the occupancy of eg orbit of Co sites from 3.81 to 3.6, which can facilitate formation of suitable bond orders between Co site and Li2Sx, thus lowering the energy barrier of rate-determining step. This work supplies an available way to the design of excellent S hosts for LSBs. |
| 關鍵字 | Lithium‑sulfur battery; Fe-Co9S8@CNT; Electronic regulation; eg orbit occupancy |
| 語言 | en |
| ISSN | 1385-8947 |
| 期刊性質 | 國外 |
| 收錄於 | SCI |
| 產學合作 | |
| 通訊作者 | |
| 審稿制度 | 否 |
| 國別 | NLD |
| 公開徵稿 | |
| 出版型式 | ,電子版 |
| 相關連結 |
機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/129539 ) |